S433-0739 Screening compound: 6-methyl-N-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

S433-0739 Screening compound: 6-methyl-N-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
S433-0739 Screening compound: 6-methyl-N-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S433-0739
6-methyl-N-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S433-0739

Molecular Formula

C23H21N5O3 (C23 H21 N5 O3)

Compound Name

6-methyl-N-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

IUPAC name

6-methyl-N-(4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-4-oxo-4H5H-pyrazolo[15-a]pyrazine-2-carboxamide

SMILES

Cc1ccc(CNC(c(cc2)ccc2NC(c2nn(C=C(C)NC3=O)c3c2)=O)=O)cc1

InChI

InChI=1S/C23H21N5O3/c1-14-3-5-16(6-4-14)12-24-21(29)17-7-9-18(10-8-17)26-22(30)19-11-20-23(31)25-15(2)13-28(20)27-19/h3-11,13H,12H2,1-2H3,(H,24,29)(H,25,31)(H,26,30)

InChI Key

QBZDNTDQUHCKTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.099

Distribution Coefficient, logD

1.482

Water Solubility, LogSw

-2.89

Polar Surface Area

85.285

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

S433-0739 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S433-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S433-0739?
Check Price and Availability of S433-0739, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S433-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S433-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S433-0739
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S433-0739 available by request